cyclohexyl(isoquinolin-8-yl)methanone

C16H17NO — CID 103134088

IUPACcyclohexyl(isoquinolin-8-yl)methanone
SMILESO=C(c1cccc2ccncc12)C1CCCCC1
InChIInChI=1S/C16H17NO/c18-16(13-5-2-1-3-6-13)14-8-4-7-12-9-10-17-11-15(12)14/h4,7-11,13H,1-3,5-6H2
InChIKeyBRYRWRCPNYHGFW-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.00
Rot. Bonds2

About cyclohexyl(isoquinolin-8-yl)methanone

cyclohexyl(isoquinolin-8-yl)methanone (PubChem CID 103134088) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is cyclohexyl(isoquinolin-8-yl)methanone.

Molecular Properties

Compound Namecyclohexyl(isoquinolin-8-yl)methanone
PubChem CID103134088
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Namecyclohexyl(isoquinolin-8-yl)methanone
SMILESO=C(c1cccc2ccncc12)C1CCCCC1
InChIInChI=1S/C16H17NO/c18-16(13-5-2-1-3-6-13)14-8-4-7-12-9-10-17-11-15(12)14/h4,7-11,13H,1-3,5-6H2
InChIKeyBRYRWRCPNYHGFW-UHFFFAOYSA-N
XLogP4.00
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

isoquinolin-8-yl-(4-propylcyclohexyl)methanone
CID 103143308
8-azabicyclo[3.2.1]octan-3-yl(isoquinolin-8-yl)methanone
CID 171941830
(3-ethylcyclohexyl)-isoquinolin-5-ylmethanone
CID 65402119
isoquinoline-8-carboxylate
CID 86306452
cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626384
cyclopentyl(quinolin-8-yl)methanone
CID 81220027
2,2-difluoro-1-isoquinolin-8-ylethanone
CID 103143371
1-isoquinolin-8-yl-3,3-dimethylbutan-1-one
CID 103133892
[1-(aminomethyl)cycloheptyl]-isoquinolin-8-ylmethanone
CID 103133490
3-amino-1-isoquinolin-8-ylpropan-1-one
CID 103132952
3-cyclohexyl-1-isoquinolin-5-ylpropan-1-one
CID 114970896
2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone
CID 103133386

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(isoquinolin-8-yl)methanone?
The IUPAC name of cyclohexyl(isoquinolin-8-yl)methanone (CID 103134088) is cyclohexyl(isoquinolin-8-yl)methanone.
What is the SMILES notation for cyclohexyl(isoquinolin-8-yl)methanone?
The canonical SMILES for cyclohexyl(isoquinolin-8-yl)methanone is O=C(c1cccc2ccncc12)C1CCCCC1.
What is the InChIKey of cyclohexyl(isoquinolin-8-yl)methanone?
The InChIKey is BRYRWRCPNYHGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c18-16(13-5-2-1-3-6-13)14-8-4-7-12-9-10-17-11-15(12)14/h4,7-11,13H,1-3,5-6H2.
What are the key properties of cyclohexyl(isoquinolin-8-yl)methanone?
cyclohexyl(isoquinolin-8-yl)methanone has a molecular weight of 239.32 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(isoquinolin-8-yl)methanone is sourced from PubChem (CID 103134088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).